TAT

ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE

Created: 2004-11-06
Last modified:  2012-01-25

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count5
Bond Count49
Aromatic Bond Count10
2D diagram of TAT
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Chemical Component Summary

NameADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE
Systematic Name (OpenEye OEToolkits)[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
FormulaC10 H16 N5 O12 P3 S
Molecular Weight523.247
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)OP(=O)(O)OP(=O)(S)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
SMILESCACTVS3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
SMILESOpenEye OEToolkits1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N
Canonical SMILESCACTVS3.370 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](S)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
Canonical SMILESOpenEye OEToolkits1.7.6 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N
InChIInChI1.03 InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,30-/m1/s1
InChIKeyInChI1.03 ROYJKVPBJVNHCQ-AJBXOXQOSA-N

Drug Info: DrugBank

DrugBank IDDB02355 
NameAdenosine-5'-Rp-Alpha-Thio-Triphosphate
Groups experimental
SynonymsAdenosine-5'-Rp-Alpha-Thio-Triphosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
Adenylate cyclaseMSSPNRKLKPTILVVDDEPDNLDLLYRTFHREFKVLKAESGPAALKILEE...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682